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AI-10-49

CAS No.:
1256094-72-0
Catalog Number:
AG009CGO
Molecular Formula:
C30H22F6N6O5
Molecular Weight:
660.5233
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$215
- +
10mg
99%
1 week
United States
$307
- +
25mg
99%
1 week
United States
$540
- +
50mg
99%
1 week
United States
$873
- +
100mg
99%
1 week
United States
$1157
- +
Product Description
Catalog Number:
AG009CGO
Chemical Name:
AI-10-49
CAS Number:
1256094-72-0
Molecular Formula:
C30H22F6N6O5
Molecular Weight:
660.5233
MDL Number:
MFCD28900686
IUPAC Name:
6-(trifluoromethoxy)-2-[5-[2-[2-[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-yl]oxyethoxy]ethoxy]pyridin-2-yl]-1H-benzimidazole
InChI:
InChI=1S/C30H22F6N6O5/c31-29(32,33)46-17-1-5-21-25(13-17)41-27(39-21)23-7-3-19(15-37-23)44-11-9-43-10-12-45-20-4-8-24(38-16-20)28-40-22-6-2-18(14-26(22)42-28)47-30(34,35)36/h1-8,13-16H,9-12H2,(H,39,41)(H,40,42)
InChI Key:
WJBSSBFGPKTMQQ-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc2c(c1)[nH]c(n2)c1ccc(cn1)OCCOCCOc1ccc(nc1)c1nc2c([nH]1)cc(cc2)OC(F)(F)F)(F)F
Properties
Complexity:
913  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
660.156g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
660.533g/mol
Monoisotopic Mass:
660.156g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Properties